Materials Data on Na6PbO4 by Materials Project
Na6PbO4 crystallizes in the cubic I-43m space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to four O2- atoms to form NaO4 tetrahedra that share a cornercorner with one PbO4 tetrahedra, corners with twelve NaO4 tetrahedra, an edgeedge with one PbO4 tetrahedra, and edges with five equivalent NaO4 tetrahedra. There are a spread of Na–O bond distances ranging from 2.28–2.48 Å. In the second Na1+ site, Na1+ is bonded to four O2- atoms to form distorted NaO4 tetrahedra that share corners with three equivalent PbO4 tetrahedra, corners with twelve NaO4 tetrahedra, and edges with five equivalent NaO4 tetrahedra. There are a spread of Na–O bond distances ranging from 2.45–2.63 Å. Pb2+ is bonded to four O2- atoms to form distorted PbO4 tetrahedra that share corners with three equivalent PbO4 tetrahedra, corners with twelve NaO4 tetrahedra, and edges with three equivalent NaO4 tetrahedra. There are three shorter (2.39 Å) and one longer (2.48 Å) Pb–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Pb2+ atoms to form corner-sharing OPb4 tetrahedra. In the second O2- site, O2- is bonded to six Na1+ and one Pb2+ atom to form distorted ONa6Pb pentagonal bipyramids that share corners with two equivalent ONa6Pb pentagonal bipyramids, a cornercorner with one OPb4 tetrahedra, and edges with six equivalent ONa6Pb pentagonal bipyramids. In the third O2- site, O2- is bonded in a distorted body-centered cubic geometry to eight Na1+ atoms.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1201823
- Report Number(s):
- mp-27623
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on Na22In5O15 by Materials Project
Materials Data on Na8Co2O7 by Materials Project